CID 4166964

Akos006276159

Structural Information

Molecular Formula
C11H14O3
SMILES
C1CC2=C(CC(CC2)C(=O)O)C(=O)C1
InChI
InChI=1S/C11H14O3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h8H,1-6H2,(H,13,14)
InChIKey
AGYXLJXXQOPJSZ-UHFFFAOYSA-N
Compound name
8-oxo-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0943 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 141.3
[M+Na]+ 217.08352 151.7
[M+NH4]+ 212.12812 149.6
[M+K]+ 233.05746 146.3
[M-H]- 193.08702 142.5
[M+Na-2H]- 215.06897 144.5
[M]+ 194.09375 142.8
[M]- 194.09485 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.